SCHEMBL6917515

SCHEMBL6917515

C=C(CCCCC[Si](OC)(OC)OC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.41
ALDH1A1 P00352 2/20 0.34
LMNA P02545 3/20 0.33
THRB P10828 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
PMP22 Q01453 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6914962 1.00 TBXAS1 (0.41) TBXAS1ALDH1A1LMNATHRBFNTA
SCHEMBL6909603 1.00 TBXAS1 (0.41) TBXAS1ALDH1A1LMNATHRBFNTA
SCHEMBL111603 0.98 TBXAS1 (0.38) TBXAS1ALDH1A1LMNA
SCHEMBL6900214 0.96 TBXAS1 (0.37) TBXAS1ALDH1A1LMNA
Hydrogen Sulfide SCHEMBL379591 0.96 TBXAS1 (0.37) TBXAS1ALDH1A1LMNA
Methacrylic Acid SCHEMBL8054976 0.93 TBXAS1 (0.36) TBXAS1THRBFNTAFNTBPGGT1B
SCHEMBL691967 0.92 TBXAS1 (0.36) TBXAS1LMNA
SCHEMBL8414115 0.91 TBXAS1 (0.35) TBXAS1LMNA
SCHEMBL6915317 0.89 TBXAS1 (0.36) TBXAS1ALDH1A1THRBFNTAFNTB
SCHEMBL6915871 0.89 TBXAS1 (0.36) TBXAS1ALDH1A1THRBFNTAFNTB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1360245-B1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M ESPE AG (DE) 2004-07-14 EP disclosed
EP-1360245-A1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M Espe AG (DE) 2003-11-12 EP disclosed
WO-2002072711-A1 ADHESIVES FOR METAL-POLYMER COMPOSITES 3M ESPE AG (DE) 2002-09-19 WO disclosed